CID 6484551

3-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
CC1=CSC2=NC=C(C(=O)N12)C(=O)O
InChI
InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKey
SLUJXUKOGZUFLT-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01720 139.1
[M+Na]+ 232.99914 152.1
[M-H]- 209.00264 141.6
[M+NH4]+ 228.04374 158.8
[M+K]+ 248.97308 148.6
[M+H-H2O]+ 193.00718 133.7
[M+HCOO]- 255.00812 156.9
[M+CH3COO]- 269.02377 181.0
[M+Na-2H]- 230.98459 142.7
[M]+ 210.00937 144.8
[M]- 210.01047 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.